RDKit
Open-source cheminformatics and machine learning.
Loading...
Searching...
No Matches
RDKit::RGroupDecomposition Member List

This is the complete list of members for RDKit::RGroupDecomposition, including all inherited members.

add(const ROMol &mol)RDKit::RGroupDecomposition
getMatchingCoreIdx(const ROMol &mol, std::vector< MatchVectType > *matches=nullptr)RDKit::RGroupDecomposition
getRGroupLabels() constRDKit::RGroupDecomposition
getRGroupsAsColumns() constRDKit::RGroupDecomposition
getRGroupsAsRows() constRDKit::RGroupDecomposition
params() constRDKit::RGroupDecomposition
process()RDKit::RGroupDecomposition
processAndScore()RDKit::RGroupDecomposition
RGroupDecomposition(const ROMol &core, const RGroupDecompositionParameters &params=RGroupDecompositionParameters())RDKit::RGroupDecomposition
RGroupDecomposition(const std::vector< ROMOL_SPTR > &cores, const RGroupDecompositionParameters &params=RGroupDecompositionParameters())RDKit::RGroupDecomposition
~RGroupDecomposition()RDKit::RGroupDecomposition